Molecular Modeling in Heavy Hydrocarbon Conversions

Molecular Modeling in Heavy Hydrocarbon Conversions (Chemical Industries) by Michael T. Klein

Molecular Modeling in Heavy Hydrocarbon Conversions (Chemical Industries) by Michael T. Klein
English | Sep 28, 2005 | ISBN: 082475851X | 248 Pages | PDF | 8 MB

In the past two decades, new modeling efforts have gradually incorporated more molecular and structural detail in response to environmental and technical interests.

Molecular Modeling in Heavy Hydrocarbon Conversions  

Posted by exLib at April 25, 2011
Molecular Modeling in Heavy Hydrocarbon Conversions

"Molecular Modeling in Heavy Hydrocarbon Conversions" by Michael T. Klein, Gang Hou, Ralph Bertolacini, Linda J. Broadbelt, Ankush Kumar
Chemical Industries: A Series of Reference Books and Textbooks, 109
CRC Press, Taylor & Francis Group | 2006 | ISBN: 0824758516 | 247 pages | PDF/djvu | 3 MB

In the past two decades, new modeling efforts have gradually incorporated more molecular and structural detail in response to environmental and technical interests. Molecular Modeling in Heavy Hydrocarbon Conversions introduces a systematic molecule-based modeling approach with a system of chemical engineering software tools that can automate the entire model building, solution, and optimization process.
 Hans-Dieter Höltje, Molecular Modeling: Basic Principles and Applications  (Repost)

Hans-Dieter Höltje, Molecular Modeling: Basic Principles and Applications
ISBN: 3527293841 | edition 1996 | PDF | 200 pages | 11 mb

Written by experienced experts in molecular modeling, this books describes the basics to the extent that is necessary if one wants to be able to reliably judge the results from molecular modeling calculations.
Its main objective is the description of the various pitfalls to be avoided. Without unnecessary overhead it leads the reader from simple calculations on small molecules to the modeling of proteins and other relevant biomolecules. A textbook for beginners as well as an invaluable reference for all those dealing with molecular modeling in their daily work!

Foundations of Molecular Modeling and Simulation  eBooks & eLearning

Posted by Underaglassmoon at June 3, 2016
Foundations of Molecular Modeling and Simulation

Foundations of Molecular Modeling and Simulation: Select Papers from FOMMS 2015
Springer | Biotechnology | July 03, 2016 | ISBN-10: 9811011265 | 168 pages | pdf | 6.23 mb

Editors: Snurr, Randall Q, Adjiman, Claire S., Kofke, David A. (Eds.)
Covers key developments in the field of molecular modelling and simulation
Includes articles on interdisciplinary themes
Includes contributions from top experts in the field
Advances in Heavy Tailed Risk Modeling: A Handbook of Operational Risk

Advances in Heavy Tailed Risk Modeling: A Handbook of Operational Risk by Gareth W. Peters and Pavel V. Shevchenko
English | 2015 | ISBN: 1118909534 | 656 pages | PDF | 4,5 MB
Hybrid Methods of Molecular Modeling (Progress in Theoretical Chemistry and Physics) (Repost)

Hybrid Methods of Molecular Modeling (Progress in Theoretical Chemistry and Physics) by Andrei L. Tchougréeff
English | 2008 | ISBN: 140208188X | 346 Pages | PDF | 3 MB

This is a self-contained advanced review offering step by step derivation of the consistent theoretical picture of hybrid modeling methods.
Molecular Modeling of Inorganic Compounds by Trevor W. Hambley [Repost]

Molecular Modeling of Inorganic Compounds by Trevor W. Hambley
Wiley-VCH; 1 edition | September 13, 1995 | English | ISBN: 3527290761 | 323 pages | PDF | 16 MB

In many branches of chemistry, Molecular Modeling is a well-established and powerful tool when complex structures are investigated. This book shows how the method can be successfully applied to inorganic and coordination compounds. In the first part, a general introduction to Molecular Modeling is given, which will be of use for chemists in all areas. The second part contains a discussion of many carefully selected examples, chosen to illustrate the wide range of applicability and the approaches being taken to dealing with some of the difficulties encountered in modeling metal complexes.

Molecular Modeling Techniques In Material Sciences  

Posted by interes at Sept. 23, 2014
Molecular Modeling Techniques In Material Sciences

Molecular Modeling Techniques In Material Sciences by Jörg-Rüdiger Hill, Lalitha Subramanian and Amitesh Maiti
English | 2005 | ISBN: 0824724194 | 328 pages | PDF | 4 MB

Increasingly useful in materials research and development, molecular modeling is a method that combines computational chemistry techniques with graphics visualization for simulating and predicting the structure, chemical processes, and properties of materials.
Molecular Modeling at the Atomic Scale: Methods and Applications in Quantitative Biology

Molecular Modeling at the Atomic Scale: Methods and Applications in Quantitative Biology (Series in Computational Biophysics) by Ruhong Zhou
English | 2014 | ISBN: 1466562951 | 388 pages | PDF | 49,3 MB

Developments in molecular modeling from experimental and computational techniques have enabled a wide range of biological applications. This timely summary reflects the recent advances in bridging novel algorithms and high performance computing with characterization of important biological processes, such as folding dynamics of key proteins.
Molecular Modeling for the Design of Novel Performance Chemicals and Materials (repost)

Molecular Modeling for the Design of Novel Performance Chemicals and Materials by Beena Rai
English | 2013 | ISBN-10: 1439840784 | 398 pages | PDF | 17 MB

Molecular modeling (MM) tools offer significant benefits in the design of industrial chemical plants and material processing operations. While the role of MM in biological fields is well established, in most cases MM works as an accessory in novel products/materials development rather than a tool for direct innovation.